CAS 1199-38-8

2-Ethyl-1-methyl-4-(1-methylethyl)benzene

Description:

2-Ethyl-1-methyl-4-(1-methylethyl)benzene, also known as p-cymene, is an aromatic hydrocarbon characterized by its distinct structure, which includes a benzene ring substituted with an ethyl group, a methyl group, and an isopropyl group. This compound is typically a colorless liquid with a pleasant, aromatic odor, making it useful in various applications, including as a solvent and in the fragrance industry. It is relatively non-polar, which affects its solubility in water, making it more soluble in organic solvents. The compound exhibits moderate volatility and has a relatively low boiling point compared to heavier hydrocarbons. In terms of reactivity, p-cymene can undergo typical electrophilic aromatic substitution reactions due to the presence of electron-donating alkyl groups on the benzene ring. Additionally, it has been studied for its potential antimicrobial properties and is found in essential oils, particularly from plants like thyme and cumin. Safety data indicates that, while it can be irritating to the skin and eyes, it is generally considered to have low toxicity.

Formula: C₁₂H₁₈

InChI: InChI=1S/C12H18/c1-5-11-8-12(9(2)3)7-6-10(11)4/h6-9H,5H2,1-4H3

InChI key: InChIKey=HYJZTIMDJXKZAC-UHFFFAOYSA-N

SMILES: C(C)C1=CC(C(C)C)=CC=C1C

Synonyms:

• p-Cymene, 2-ethyl-
• Benzene, 2-ethyl-1-methyl-4-(1-methylethyl)-
• 2-Ethyl-4-isopropyltoluene
• 1-Ethyl-2-methyl-5-(1-methylethyl)benzene
• 2-Ethyl-1-methyl-4-(1-methylethyl)benzene

Benzene, 2-ethyl-1-methyl-4-(1-methylethyl)-

CAS: 1199-38-8

Formula: C₁₂H₁₈

Molecular weight: 162.2713

Ref: IN-DA000PUY